L{ }
Calling sequence
classical{ L{ } }
Properties
usage:
items: maximum 1
Dependencies
The L{ } is not allowed if global{ crystal_wz{ } } is present in the input file.
If global{ crystal_zb{ } } is present in the input file, then at least one of the following: Gamma{ }, X{ }, Delta{ }, and L{ } must be defined.
Functionality
By calling this group, four conduction bands with minimums at L_1
, L_2
, L_3
, and L_4
for the [1 1 1]
, [1 -1 1]
, [1 -1 -1]
, and [1 1 -1]
directions, respectively, in output files.
Note
This group does not apply to materials with wurtzite symmetry.
Example
classical{
L{}
HH{}
}
global{
...
crystal_zb{...}
}
Nested keywords
Maintained Keywords
The keywords below are available in at least one of currently published releases and are planned to be included also in the next release.
output_bandedge{ }
Calling sequence
classical{ L{ output_bandedge{ } } }
Properties
usage:
items: maximum 1
Functionality
Output minimum (band edge) of this band as energy profile in a single file [eV].
Example
classical{
L{
output_bandedge{}
}
HH{}
}
global{
...
crystal_zb{...}
}
output_bandedge{ averaged }
Calling sequence
classical{ L{ output_bandedge{ averaged } } }
Properties
usage:
type: choice
values:
yes
orno
default:
no
Functionality
If set to yes
then, for each grid point, the energy profile will be averaged between neighboring material grid points.
If set to no
then abrupt discontinuities at interfaces are visible in the output files (in 1D two points, in 2D four points, in 3D eight points for each grid point).
Example
classical{
L{
output_bandedge{
averaged = yes
}
}
HH{}
}
global{
...
crystal_zb{...}
}